Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM50096203'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50096203 (CHEMBL3593812) Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1)-c1ccc(N)nc1 Show InChI InChI=1S/C34H49N5O7/c1-4-22(2)31-29(40)21-38-18-12-11-16-28(38)34(45)35-25(14-7-5-6-8-17-30(41)42)32(43)36-26(33(44)37-31)19-23-20-39(46-3)27-15-10-9-13-24(23)27/h9-10,13,15,20,22,25-26,28,31H,4-8,11-12,14,16-19,21H2,1-3H3,(H,35,45)(H,36,43)(H,37,44)(H,41,42)/t22?,25-,26-,28+,31-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
University of Malaya Curated by ChEMBL					Assay Description Inhibition of PARP-1 (unknown origin) assessed as incorporation of biotinylated poly (ADP-ribose) onto histone protein after 60 mins by TACS-Sapphire...				Bioorg Med Chem 23: 4669-80 (2015) Article DOI: 10.1016/j.bmc.2015.05.051 BindingDB Entry DOI: 10.7270/Q2S75J2K
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